2-[(6-chloranyl-4-phenyl-quinazolin-2-yl)amino]-6-(3-methylbutyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[(6-chloranyl-4-phenyl-quinazolin-2-yl)amino]-6-(3-methylbutyl)-1H-pyrimidin-4-one Openeye Name: 2-[(6-chloro-4-phenyl-quinazolin-2-yl)amino]-6-isopentyl-1H-pyrimidin-4-one CAS Name: 2-[(6-chloro-4-phenyl-2-quinazolinyl)amino]-6-(3-methylbutyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-6-(3-methylbutyl)-1H-pyrimidin-4-one Traditional Name: 2-[(6-chloro-4-phenyl-quinazolin-2-yl)amino]-6-isoamyl-1H-pyrimidin-4-one Formula: C23H22ClN5O MolecularWeight: 419.90668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC(=O)N=C(N1)NC2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCC1=CC(=O)N=C(N1)NC2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C23H22ClN5O/c1-14(2)8-10-17-13-20(30)27-22(25-17)29-23-26-19-11-9-16(24)12-18(19)21(28-23)15-6-4-3-5-7-15/h3-7,9,11-14H,8,10H2,1-2H3,(H2,25,26,27,28,29,30)